SCHEMBL4242803

SCHEMBL4242803

CSc1ccc(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.65
KMT2A Q03164 2/20 0.54
SLC18A3 Q16572 1/20 0.53
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
STS P08842 4/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14113587 0.85 KMT2A (0.71) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL228921 0.84 HSD11B1 (0.63) KMT2APOLBMEN1
SCHEMBL4235957 0.84 MGLL (0.56) GPR119KMT2ASLC18A3PTPN2PTPN1
SCHEMBL473345 0.84 STS (0.67) KMT2ASTSMEN1
SCHEMBL24833605 0.84 MGLL (0.56) GPR119KMT2ASLC18A3PTPN2PTPN1
SCHEMBL441012 0.84 KDM4E (0.62) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL16432195 0.83 KMT2A (0.58) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL4240126 0.83 POLB (0.69) GPR119KMT2ASTSPOLBMEN1
SCHEMBL18824369 0.83 KMT2A (0.58) GPR119KMT2APTPN2PTPN1PTPN6
SCHEMBL4777861 0.83 GPR119 (0.69) GPR119KMT2APTPN2PTPN1PTPN6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 GPR119 207/4885KMT2A 4728/4885SLC18A3 993/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.